3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide

C10H9BrN2O3S3 — CID 47246546

IUPAC3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sccc2Br)s1
InChIInChI=1S/C10H9BrN2O3S3/c11-7-3-4-17-9(7)10(14)13-5-6-1-2-8(18-6)19(12,15)16/h1-4H,5H2,(H,13,14)(H2,12,15,16)
InChIKeyZGHVRRHMAQWXOB-UHFFFAOYSA-N
MW381.30 g/mol
LogP2.15
Rot. Bonds4

About 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 47246546) has the molecular formula C10H9BrN2O3S3 and a molecular weight of 381.30 g/mol. Its IUPAC name is 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID47246546
Molecular FormulaC10H9BrN2O3S3
Molecular Weight381.30 g/mol
Exact Mass379.90
IUPAC Name3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2sccc2Br)s1
InChIInChI=1S/C10H9BrN2O3S3/c11-7-3-4-17-9(7)10(14)13-5-6-1-2-8(18-6)19(12,15)16/h1-4H,5H2,(H,13,14)(H2,12,15,16)
InChIKeyZGHVRRHMAQWXOB-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 24658577
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
5-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62958487
4-bromo-2-fluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242545
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
4-propan-2-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiadiazole-5-carboxamide
CID 65204670

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 47246546) is 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2sccc2Br)s1.
What is the InChIKey of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZGHVRRHMAQWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3S3/c11-7-3-4-17-9(7)10(14)13-5-6-1-2-8(18-6)19(12,15)16/h1-4H,5H2,(H,13,14)(H2,12,15,16).
What are the key properties of 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide?
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47246546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).